(3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone

C17H23N5O3 — CID 75501560

IUPAC(3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3cnn(CC(C)C)c3)CC2)on1
InChIInChI=1S/C17H23N5O3/c1-12(2)10-22-11-14(9-18-22)16(23)20-4-6-21(7-5-20)17(24)15-8-13(3)19-25-15/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyXPZQDNOPURUXAP-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.43
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone

(3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 75501560) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone
PubChem CID75501560
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3cnn(CC(C)C)c3)CC2)on1
InChIInChI=1S/C17H23N5O3/c1-12(2)10-22-11-14(9-18-22)16(23)20-4-6-21(7-5-20)17(24)15-8-13(3)19-25-15/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyXPZQDNOPURUXAP-UHFFFAOYSA-N
XLogP1.43
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32517272
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
furan-3-yl-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32532619
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63596014
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
1-[1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 62728545
(4-methylpiperazin-1-yl)-[1-[1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidin-2-yl]methanone
CID 86786556
N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
CID 86869144
[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119423963
[4-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95899794
2-(1-aminocyclobutyl)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]ethanone
CID 91645490

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone (CID 75501560) is (3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C(=O)c3cnn(CC(C)C)c3)CC2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is XPZQDNOPURUXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12(2)10-22-11-14(9-18-22)16(23)20-4-6-21(7-5-20)17(24)15-8-13(3)19-25-15/h8-9,11-12H,4-7,10H2,1-3H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone?
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 75501560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).